N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide

C10H14F3N3O2S — CID 71807775

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C10H14F3N3O2S/c1-19(17,18)14-4-5-16-8(7-2-3-7)6-9(15-16)10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyWECSDRQALRIGCU-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.33
Rot. Bonds5

About N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide (PubChem CID 71807775) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide
PubChem CID71807775
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C10H14F3N3O2S/c1-19(17,18)14-4-5-16-8(7-2-3-7)6-9(15-16)10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyWECSDRQALRIGCU-UHFFFAOYSA-N
XLogP1.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide (CID 71807775) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide?
The InChIKey is WECSDRQALRIGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-19(17,18)14-4-5-16-8(7-2-3-7)6-9(15-16)10(11,12)13/h6-7,14H,2-5H2,1H3.
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 71807775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).